Basic information
- CAS
6807-96-1- Standard SMILES
O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)C2C=COC2O1- InChIKey
SJNDYXPJRUTLNW-UHFFFAOYSA-N- Molecular formula
- C18H10O7
- Average molar mass
- 338.3 g/mol
- Monoisotopic mass
- 338.04265265
Names & identifiers
- Preferred name
- 4,6,8-Trihydroxy-3a,12a-dihydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione
- IUPAC
- 2,16,18-trihydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14(19),15,17-heptaene-13,20-dione
- English name
- versicolorin A
- Molecular formula
- C18H10O7
- Molecular weight
- 338.27
Names & synonyms
4,6,8-Trihydroxy-3a,12a-dihydroanthra[2,3-b]furo[3,2-d]furan-5,10-dioneSCHEMBL23199014DTXSID30987517NSC274542Anthra[2,2-d]furan-5,10-dione, 3a,12a-dihydro-4,6,8-trihydroxy-, (3aS-cis)-Nsc 274542Ccris 3475Versicolorinversicolorin AZ-(-)-4,6,8-Trihydroxy-3A,12A-dihydroanthra(2,3-B)furo(3,2-D)furan-5,10-dioneAnthra(2,3-B)furo(3,2-D)furan-5,10-dione, 3A,12A-dihydro-4,6,8-trihydroxy-, Z-(-)-Anthra[2,3-b]furo[3,2-d]furan-5,10-dione, 3a,12a-dihydro-4,6,8-trihydroxy-, (3aS,12aR)-
Database identifiers
- CAS
6807-96-1- PubChem CID
- 99940
- DTXSID
DTXSID30987517
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 645
Physicochemical properties
- Melting point
- 289 °C · 289°C (rough estimate)
- Boiling point
- 434.43 °C · 434.43°C (rough estimate)
- Density
- 1.3994 · 1.3994 (rough estimate)
- refractive index
- 1.638 · 1.6380 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 M9U6126 · DU1M9U6126
Chemistry & industry
Applications
UsesVersicolorin A, a precursor of aflatoxin B1 (AFB1), can serve as an early indicator of aflatoxin (AF) contamination, even when AFs themselves are present at undetectable levels[1].
Suppliers3 total
青岛贞开生物医药技术有限公司0532-58268781 18561687109 · [email protected]
北京科易通达科技发展有限公司17743531240 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: An organic heteropentacyclic compound that is 3a,12a-dihydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione carrying three hydroxy substituents at positions 4, 6 and 8.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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